SCHEMBL7533872

SCHEMBL7533872

COc1ccc(NS(=O)(=O)c2c(F)c(F)c([N+](=O)[O-])c(F)c2F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.49
ALDH1A1 P00352 6/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 2/20 0.49
MAPT P10636 2/20 0.49
THRB P10828 2/20 0.49
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TRPM8 Q7Z2W7 1/20 0.45
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.42
HTR6 P50406 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
KIT P10721 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7540510 0.91 LMNA (0.57) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL7535790 0.88 L3MBTL1 (0.45) LMNAALDH1A1MEN1KMT2AHTT
Batabulin SCHEMBL29373304 0.87 LMNA (0.54) LMNAALDH1A1MEN1KMT2AHTT
Batabulin SCHEMBL18845 0.87 LMNA (0.54) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL7540068 0.86 ALDH1A1 (0.44) LMNAALDH1A1MEN1KMT2AHTT
Batabulin SCHEMBL6086887 0.86 LMNA (0.53) LMNAALDH1A1MEN1KMT2AHTT
Batabulin SCHEMBL6089508 0.86 LMNA (0.53) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL28762050 0.83 LMNA (0.51) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL31034621 0.83 CA1 (0.55) LMNAALDH1A1MEN1KMT2AHTT
SCHEMBL6073868 0.82 ALDH1A1 (0.57) LMNAALDH1A1MEN1KMT2AHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents AMGEN INC. 2002-01-31 US claimed
EP-1005453-A1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE AND CHOLESTEROL LOWERING AGENTS TULARIK, INC. (US) 2000-06-07 EP claimed
WO-1999010320-A1 SUBSTITUTED BENZENE COMPOUNDS AS ANTIPROLIFERATIVE AND CHOLESTEROL LOWERING AGENTS TULARIK INC. (US) 1999-03-04 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020013496-A1 Benzene compounds as antiproliferative and cholesterol lowering agents CYP46A1, TGFB1, NR1H2 LMNA 2006/4885ALDH1A1 1173/4885MEN1 2231/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.